SCHEMBL10102873

SCHEMBL10102873

CC(C)(C)NC(=O)CCNC(=O)C1CCN(C(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ HSD17B10 Q99714 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ TSHR P16473 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GNAI3 P08754 1/20 0.36
▸ GNAO1 P09471 1/20 0.36
▸ GNAI1 P63096 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ F2R P25116 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10109054 0.84 SMN1; SMN2 (0.44) SMN1; SMN2HSD17B10LMNATSHRGAA
SCHEMBL13006890 0.84 ITGB3 (0.48) SMN1; SMN2HSD17B10ITGB3ITGA2BF2R
SCHEMBL13006883 0.80 KDM4E (0.51) SMN1; SMN2HSD17B10LMNATSHRGAA
SCHEMBL21004319 0.80 POLB (0.50) SMN1; SMN2HSD17B10LMNAKMT2ATSHR
SCHEMBL10102870 0.77 ALDH1A1 (0.41) SMN1; SMN2LMNAKMT2APOLB
SCHEMBL12139854 0.77 HSD17B10 (0.49) SMN1; SMN2HSD17B10LMNAKMT2ATSHR
SCHEMBL21569625 0.75 HSD17B10 (0.45) SMN1; SMN2HSD17B10KMT2ATSHRGAA
SCHEMBL19975949 0.75 KMT2A (0.44) SMN1; SMN2KMT2AHPGD
SCHEMBL21569666 0.74 LMNA (0.50) SMN1; SMN2HSD17B10LMNAKMT2ATSHR
SCHEMBL13006885 0.74 HSD17B10 (0.42) SMN1; SMN2HSD17B10LMNAKDM4EITGB3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841324-B2 Heterocyclic compounds as autotaxin inhibitors MERCK PATENT GMBH (DE) 2014-09-23 — — US disclosed
US-20120015959-A1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-01-19 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120015959-A1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS ENPP2, HAX1, MTX1 SMN1; SMN2 4505/4885HSD17B10 2719/4885LMNA 1944/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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